CHANGELOG.md
CMakeLists.txt
CMakeLists.txt.in
LICENSE
MANIFEST.in
README.md
build_requirements.txt
dev_requirements.txt
doc_requirements.txt
make_CMakeLists.py
pre-commit
pyproject.toml
setup.py
stylize.sh
test_requirements.txt
cmake/CASMcode_clexulatorConfig.cmake.in
include/casm/clexulator/BaseClexulator.hh
include/casm/clexulator/BasicClexParamPack.hh
include/casm/clexulator/ClexParamPack.hh
include/casm/clexulator/Clexulator.hh
include/casm/clexulator/ClusterExpansion.hh
include/casm/clexulator/ConfigDoFValues.hh
include/casm/clexulator/ConfigDoFValuesTools.hh
include/casm/clexulator/ConfigDoFValuesTools_impl.hh
include/casm/clexulator/Correlations.hh
include/casm/clexulator/DiffClexParamPack.hh
include/casm/clexulator/DoFSpace.hh
include/casm/clexulator/DoFSpaceAxisInfo.hh
include/casm/clexulator/ImpactTable.hh
include/casm/clexulator/LocalClusterExpansion.hh
include/casm/clexulator/LocalCorrelations.hh
include/casm/clexulator/NeighborList.hh
include/casm/clexulator/OrderParameter.hh
include/casm/clexulator/SparseCoefficients.hh
include/casm/clexulator/version.hh
include/casm/clexulator/external/fadbad/COPYRIGHT
include/casm/clexulator/external/fadbad/README
include/casm/clexulator/external/fadbad/badiff.h
include/casm/clexulator/external/fadbad/fadbad.h
include/casm/clexulator/external/fadbad/fadiff.h
include/casm/clexulator/external/fadbad/tadiff.h
include/casm/clexulator/io/json/Clexulator_json_io.hh
include/casm/clexulator/io/json/ConfigDoFValues_json_io.hh
include/casm/clexulator/io/json/DoFSpace_json_io.hh
include/casm/clexulator/io/json/SparseCoefficients_json_io.hh
python/pyproject.toml
python/setup.py
python/doc/.gitignore
python/doc/bibliography.rst
python/doc/conf.py
python/doc/index.rst
python/doc/installation.rst
python/doc/refs.bib
python/doc/usage.rst
python/doc/_static/apple-touch-icon.png
python/doc/_static/favicon-16x16.png
python/doc/_static/favicon-32x32.png
python/doc/_static/logo.pdf
python/doc/_static/logo.svg
python/doc/_static/logo_dark.svg
python/doc/_static/logo_dark_outline.svg
python/doc/_static/logo_outline.svg
python/doc/_static/small_logo.pdf
python/doc/_static/small_logo.svg
python/doc/_static/small_logo_dark.svg
python/doc/_static/css/custom.css
python/doc/_templates/base.rst
python/doc/_templates/custom-attr-template.rst
python/doc/_templates/custom-class-template.rst
python/doc/_templates/custom-function-template.rst
python/doc/_templates/custom-module-template.rst
python/doc/examples/make_neighbor_lists.py
python/doc/reference/libcasm/index.rst
python/doc/usage/cluster_expansion.rst
python/doc/usage/cluster_expansion_details.rst
python/doc/usage/config_dof_values.rst
python/doc/usage/local_cluster_expansion.rst
python/doc/usage/neighbor_lists.rst
python/doc/usage/order_parameters.rst
python/libcasm/clexulator/__init__.py
python/libcasm/clexulator/_functions.py
python/libcasm_clexulator.egg-info/PKG-INFO
python/libcasm_clexulator.egg-info/SOURCES.txt
python/libcasm_clexulator.egg-info/dependency_links.txt
python/libcasm_clexulator.egg-info/requires.txt
python/libcasm_clexulator.egg-info/top_level.txt
python/src/clexulator.cpp
python/tests/clexulator/__init__.py
python/tests/clexulator/conftest.py
python/tests/clexulator/functions.py
python/tests/clexulator/test_OrderParameter.py
python/tests/clexulator/test_SparseCoefficients.py
python/tests/clexulator/test_clexulator.py
python/tests/clexulator/test_config_dof_values.py
python/tests/clexulator/test_correlations.py
python/tests/clexulator/test_diff_clex.py
python/tests/clexulator/test_neighbor_list.py
src/casm/clexulator/BaseClexulator.cc
src/casm/clexulator/Clexulator.cc
src/casm/clexulator/ClusterExpansion.cc
src/casm/clexulator/Correlations.cc
src/casm/clexulator/DoFSpace.cc
src/casm/clexulator/DoFSpaceAxisInfo.cc
src/casm/clexulator/ImpactTable.cc
src/casm/clexulator/LocalClusterExpansion.cc
src/casm/clexulator/LocalCorrelations.cc
src/casm/clexulator/NeighborList.cc
src/casm/clexulator/OrderParameter.cc
src/casm/clexulator/version.cc
src/casm/clexulator/io/json/Clexulator_json_io.cc
src/casm/clexulator/io/json/ConfigDoFValues_json_io.cc
src/casm/clexulator/io/json/DoFSpace_json_io.cc
src/casm/clexulator/io/json/SparseCoefficients_json_io.cc
tests/CMakeLists.txt
tests/CMakeLists.txt.in
tests/unit/TestClexulatorBase.hh
tests/unit/TestConfiguration.hh
tests/unit/TestLocalClexulatorBase.hh
tests/unit/autotools.cc
tests/unit/autotools.hh
tests/unit/gtest_main_run_all.cpp
tests/unit/testdir.cc
tests/unit/testdir.hh
tests/unit/testfunctions.hh
tests/unit/teststructures.hh
tests/unit/clexulator/Clexulator_json_io_test.cpp
tests/unit/clexulator/ClusterExpansion_test.cpp
tests/unit/clexulator/ConfigDoFValuesTools_test.cpp
tests/unit/clexulator/ConfigDoFValues_json_io_test.cpp
tests/unit/clexulator/ConfigDoFValues_test.cpp
tests/unit/clexulator/DoFSpace_json_io_test.cpp
tests/unit/clexulator/DoFSpace_test.cpp
tests/unit/clexulator/DoFSpace_values_test.cpp
tests/unit/clexulator/LocalClusterExpansion_test.cpp
tests/unit/clexulator/LocalOccClexulator_test.cpp
tests/unit/clexulator/OccClexulator_test.cpp
tests/unit/clexulator/OrderParameter_test.cpp
tests/unit/clexulator/SparseCoefficients_json_io_test.cpp
tests/unit/clexulator/fadbad_test.cpp
tests/unit/clexulator/version_test.cpp
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/meta.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/ZrO_Clexulator_hop0.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/basis.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/bspecs.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/clust.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/coeff.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/coeff_0.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/coeff_1.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/equivalents_info.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/event.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/0/ZrO_Clexulator_hop0_0.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop0/1/ZrO_Clexulator_hop0_1.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/ZrO_Clexulator_hop1.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/basis.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/bspecs.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/clust.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/equivalents_info.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/event.json
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/0/ZrO_Clexulator_hop1_0.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/1/ZrO_Clexulator_hop1_1.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/2/ZrO_Clexulator_hop1_2.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/3/ZrO_Clexulator_hop1_3.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/4/ZrO_Clexulator_hop1_4.cc
tests/unit/clexulator/data/LocalOccClexulatorZrOTest/basis_sets/bset.hop1/5/ZrO_Clexulator_hop1_5.cc
tests/unit/clexulator/data/OccClexulatorFCCTernaryTest/meta.json
tests/unit/clexulator/data/OccClexulatorFCCTernaryTest/basis_sets/bset.default/OccClexulatorTest_Clexulator_default.cc
tests/unit/clexulator/data/OccClexulatorZrOTest/coeff.json
tests/unit/clexulator/data/OccClexulatorZrOTest/eci.json
tests/unit/clexulator/data/OccClexulatorZrOTest/meta.json
tests/unit/clexulator/data/OccClexulatorZrOTest/basis_sets/bset.default/OccClexulatorZrOTest_Clexulator_default.cc
tests/unit/clexulator/data/OccClexulatorZrOTest_2/coeff.json
tests/unit/clexulator/data/OccClexulatorZrOTest_2/coeff_0.json
tests/unit/clexulator/data/OccClexulatorZrOTest_2/coeff_1.json
tests/unit/clexulator/data/OccClexulatorZrOTest_2/eci.json
tests/unit/clexulator/data/OccClexulatorZrOTest_2/meta.json
tests/unit/clexulator/data/OccClexulatorZrOTest_2/basis_sets/bset.default/ZrO_Clexulator_default.cc